N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide

C27H28N2O3 — CID 17354822

IUPACN-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
SMILESCCC(=O)N1c2ccccc2C(N(C(=O)COc2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C27H28N2O3/c1-3-26(30)28-20(2)18-25(23-16-10-11-17-24(23)28)29(21-12-6-4-7-13-21)27(31)19-32-22-14-8-5-9-15-22/h4-17,20,25H,3,18-19H2,1-2H3
InChIKeySHRGQDIZFCHWSK-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.38
Rot. Bonds6

About N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide

N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide (PubChem CID 17354822) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
PubChem CID17354822
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
SMILESCCC(=O)N1c2ccccc2C(N(C(=O)COc2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C27H28N2O3/c1-3-26(30)28-20(2)18-25(23-16-10-11-17-24(23)28)29(21-12-6-4-7-13-21)27(31)19-32-22-14-8-5-9-15-22/h4-17,20,25H,3,18-19H2,1-2H3
InChIKeySHRGQDIZFCHWSK-UHFFFAOYSA-N
XLogP5.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
2-(4-methoxyphenoxy)-N-[(2S,4R)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212270
2-(4-methoxyphenoxy)-N-[1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 3313798
2-(4-methoxyphenoxy)-N-[(2R,4S)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212272
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1048862
2-[4-[(2R,4S)-2-methyl-4-(N-propanoylanilino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetic acid
CID 68918397
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805
N-[(2S,4R)-1-[2-(4-bromophenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 92957449
N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide
CID 23991694

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide?
The IUPAC name of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide (CID 17354822) is N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide.
What is the SMILES notation for N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide?
The canonical SMILES for N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide is CCC(=O)N1c2ccccc2C(N(C(=O)COc2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide?
The InChIKey is SHRGQDIZFCHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-3-26(30)28-20(2)18-25(23-16-10-11-17-24(23)28)29(21-12-6-4-7-13-21)27(31)19-32-22-14-8-5-9-15-22/h4-17,20,25H,3,18-19H2,1-2H3.
What are the key properties of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide?
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide has a molecular weight of 428.53 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide is sourced from PubChem (CID 17354822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).